2-(3-imidazol-1-ylpropylamino)benzenecarbonitrile

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)benzenecarbonitrile Openeye Name: 2-(3-imidazol-1-ylpropylamino)benzonitrile CAS Name: 2-[3-(1-imidazolyl)propylamino]benzonitrile IUPAC Name: 2-(3-imidazol-1-ylpropylamino)benzonitrile Traditional Name: 2-(3-imidazol-1-ylpropylamino)benzonitrile Formula: C13H14N4 MolecularWeight: 226.27706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NCCCN2C=CN=C2

InChI

InChI=1S/C13H14N4/c14-10-12-4-1-2-5-13(12)16-6-3-8-17-9-7-15-11-17/h1-2,4-5,7,9,11,16H,3,6,8H2